2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol

C10H15NO3 — CID 130691846

IUPAC2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
SMILESCOc1ccc(O)c([C@H](N)[C@H](C)O)c1
InChIInChI=1S/C10H15NO3/c1-6(12)10(11)8-5-7(14-2)3-4-9(8)13/h3-6,10,12-13H,11H2,1-2H3/t6-,10+/m0/s1
InChIKeyWUNCEGKIZNGEFI-QUBYGPBYSA-N
MW197.23 g/mol
LogP0.78
Rot. Bonds3

About 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol

2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol (PubChem CID 130691846) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
PubChem CID130691846
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
SMILESCOc1ccc(O)c([C@H](N)[C@H](C)O)c1
InChIInChI=1S/C10H15NO3/c1-6(12)10(11)8-5-7(14-2)3-4-9(8)13/h3-6,10,12-13H,11H2,1-2H3/t6-,10+/m0/s1
InChIKeyWUNCEGKIZNGEFI-QUBYGPBYSA-N
XLogP0.78
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride
CID 171267529
2-[(1R)-1-amino-2,2-difluoroethyl]-4-methoxyphenol
CID 130612678
2-[(1R,2S)-1-amino-2-hydroxy-3-methylpentyl]-4-methoxyphenol
CID 171261862
2-[(1R,2S)-2-amino-1-hydroxypropyl]-4-methoxyphenol
CID 130898802
1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol
CID 130000045
2-[(1S,2R)-1-amino-2-hydroxy-3,3-dimethylbutyl]-4-methoxyphenol
CID 171267542
(1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol
CID 130969127
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
2-[(1S,2R)-1-amino-2-hydroxypentyl]-4-methoxyphenol
CID 171267548
2-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]-4-methoxyphenol
CID 171267534
2-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,4-diol
CID 130731355
2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-4-methoxyphenol;hydrochloride
CID 171261853

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol?
The IUPAC name of 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol (CID 130691846) is 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol?
The canonical SMILES for 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol is COc1ccc(O)c([C@H](N)[C@H](C)O)c1.
What is the InChIKey of 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol?
The InChIKey is WUNCEGKIZNGEFI-QUBYGPBYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(12)10(11)8-5-7(14-2)3-4-9(8)13/h3-6,10,12-13H,11H2,1-2H3/t6-,10+/m0/s1.
What are the key properties of 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol?
2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol has a molecular weight of 197.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol is sourced from PubChem (CID 130691846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).